3-(cyclohexylsulfanylmethyl)-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-(cyclohexylsulfanylmethyl)-5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[(cyclohexylthio)methyl]-5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-(cyclohexylsulfanylmethyl)-5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[(cyclohexylthio)methyl]-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CSC4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CSC4CCCCC4

InChI

InChI=1S/C18H21N3O4S3/c1-28(23,24)14-11-26-16(15(14)20-9-5-6-10-20)17-19-21(18(22)25-17)12-27-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3